NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0580 7.9133 120.3916 63.2160 32.8001 175.7453 6 R 3.4183 8.0230 130.4845 56.9884 28.7153 177.2164 7 I 4.1052 8.6981 127.3552 63.2330 37.6312 176.1470 8 K 3.8862 8.2873 124.8838 57.6454 31.9432 172.8680 9 L 3.9889 8.1795 129.1944 54.1645 43.1497 172.8922 10 L 4.5190 8.3834 126.1721 54.5905 42.3812 176.2406 11 L 4.9027 8.9388 124.9331 53.3149 45.8412 174.8363 12 E 5.0907 8.8059 122.2677 54.8538 33.1760 174.6003 13 C 5.2488 8.5785 118.0082 57.5716 31.7328 173.0067 14 T 4.6278 7.8075 113.1218 59.7041 70.7626 173.0639 15 E 4.1098 9.1460 128.1842 62.1902 30.3740 178.6784 16 C 3.8908 6.6217 109.8931 57.8958 27.6129 172.9498 17 K 4.7797 7.9548 127.6210 55.2346 34.8670 176.4545 18 R 4.4955 7.2651 115.9752 55.5914 33.8697 172.5432 19 R 3.4796 8.7448 118.5643 56.6894 28.2440 175.6787 20 N 4.0810 8.9044 113.5334 53.1388 40.0768 171.2135 21 Y 4.9341 8.0432 117.1343 57.2647 42.2480 174.2525 22 A 4.4109 8.3889 120.1027 52.0178 23.6220 175.6073 23 T 3.4995 8.0628 103.3029 62.6436 67.9339 170.3151 24 E 4.6985 8.5321 127.9587 55.0544 33.9214 174.1055 25 K 4.8766 8.7047 119.5525 57.5396 36.1268 176.0790 26 N 4.8227 9.6961 115.5517 52.0726 39.7409 174.8748 27 K 4.5306 10.1096 131.9588 63.8547 35.6761 176.6191 28 R 3.0172 7.5535 116.0886 55.5994 32.7859 176.1031 29 N 3.9318 9.0917 109.0598 56.5522 39.4820 174.1574 30 T 3.5137 8.2411 117.4050 65.0395 68.4398 174.4335 31 P 3.8854 0.0000 0.0000 63.4217 27.1690 173.8858 32 N 4.4348 8.0516 120.4663 52.9589 41.7258 172.8569 33 K 3.9993 8.4817 117.5261 58.7516 31.1387 176.4802 34 L 3.9105 8.8503 122.1097 54.4437 38.3546 173.3869 35 E 3.8937 7.9804 119.1875 56.9389 30.2057 175.8169 36 L 4.9597 8.1184 127.5001 53.3578 45.6684 174.8287 37 R 4.4649 8.2529 125.0452 55.7746 34.7175 173.1567 38 K 4.1830 8.7626 123.2981 56.5121 32.5056 176.1154 39 Y 4.6145 8.1538 124.9437 55.7639 41.6915 174.6328 40 C 4.2353 7.7651 126.8749 57.1380 30.6562 171.2274 41 P 4.6268 0.0000 0.0000 62.3593 31.7352 176.1605 42 W 5.1616 8.6112 127.9400 59.0855 31.9238 177.2269 43 C 4.2171 8.0281 119.6544 58.7203 29.9407 170.4323 44 R 3.6794 7.9809 126.0718 54.7944 27.6472 174.9307 45 K 4.0694 8.6599 124.2015 56.1397 32.7969 177.0528 46 H 5.5682 7.8482 135.0000 56.1594 30.1082 174.1847 47 T 4.8301 7.0256 108.6351 61.3777 73.0298 175.6016 48 V 4.6101 7.8304 123.0583 60.1866 30.2913 179.2492 49 H 5.7471 7.3498 128.9867 56.8236 32.7592 173.8449 50 R 5.1760 7.3707 120.1988 54.5077 32.4205 173.8767 51 E 4.7293 8.1471 120.3368 56.5217 31.9607 173.7598 52 V 4.0959 7.4404 117.3576 63.4599 33.6842 169.8987 53 K 4.1625 8.1534 117.6880 54.0064 34.5285 175.9819 54 I 3.5597 7.6774 125.2677 60.5473 38.9111 173.8864 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 V 7.91 4.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 6 R 8.02 3.42 0.00 2.14 1.24 0.00 3.18 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 7 I 8.70 4.11 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.46 0.91 0.00 0.00 8 K 8.29 3.89 0.00 1.92 1.86 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.41 7.81 9 L 8.18 3.99 0.00 1.87 1.69 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.38 4.52 0.00 1.56 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.94 4.90 0.00 1.64 1.61 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.81 5.09 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.35 0.00 13 C 8.58 5.25 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.81 4.63 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 15 E 9.15 4.11 0.00 1.85 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 16 C 6.62 3.89 0.00 3.33 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.95 4.78 0.00 1.97 1.97 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.21 1.08 7.81 18 R 7.27 4.50 0.00 1.99 2.10 0.00 3.03 0.00 0.00 3.27 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 19 R 8.74 3.48 0.00 1.99 2.00 0.00 3.28 0.00 0.00 3.38 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.56 0.00 20 N 8.90 4.08 0.00 2.94 2.63 0.00 0.00 6.68 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 8.04 4.93 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.39 4.41 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.06 3.50 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 24 E 8.53 4.70 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.32 0.00 25 K 8.70 4.88 0.00 1.84 1.76 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.42 7.81 26 N 9.70 4.82 0.00 2.57 2.42 0.00 0.00 6.97 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 10.11 4.53 0.00 1.92 1.90 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.18 7.81 28 R 7.55 3.02 0.00 1.86 1.61 0.00 3.33 0.00 0.00 3.22 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 29 N 9.09 3.93 0.00 2.75 2.82 0.00 0.00 6.78 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.24 3.51 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 P 0.00 3.89 0.00 2.10 2.26 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 32 N 8.05 4.43 0.00 2.74 2.88 0.00 0.00 7.55 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.48 4.00 0.00 1.87 2.12 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.35 7.81 34 L 8.85 3.91 0.00 1.74 2.03 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.98 3.89 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 36 L 8.12 4.96 0.00 1.64 1.46 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.25 4.46 0.00 1.99 1.75 0.00 3.21 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 38 K 8.76 4.18 0.00 1.71 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.46 7.81 39 Y 8.15 4.61 0.00 2.77 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.77 4.24 0.00 2.85 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.63 0.00 2.19 2.17 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 42 W 8.61 5.16 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.03 4.22 0.00 3.06 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.98 3.68 0.00 1.92 2.03 0.00 3.27 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 45 K 8.66 4.07 0.00 1.94 2.13 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 46 H 7.85 5.57 0.00 3.41 3.49 0.00 5.49 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.03 4.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 48 V 7.83 4.61 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.96 0.00 0.00 49 H 7.35 5.75 0.00 3.51 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.37 5.18 0.00 1.75 1.77 0.00 3.53 0.00 0.00 3.46 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 51 E 8.15 4.73 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 52 V 7.44 4.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 53 K 8.15 4.16 0.00 1.88 1.76 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.34 7.81 54 I 7.68 3.56 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 1.01 0.00 0.00